ChemSpider 2D Image | (2S)-3-{[(2S)-2-Ethylhexyl]oxy}-1,2-propanediol | C11H24O3

(2S)-3-{[(2S)-2-Ethylhexyl]oxy}-1,2-propanediol

  • Molecular FormulaC11H24O3
  • Average mass204.307 Da
  • Monoisotopic mass204.172546 Da
  • ChemSpider ID34988820

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S)-3-{[(2S)-2-Ethylhexyl]oxy}-1,2-propandiol [German] [ACD/IUPAC Name]
(2S)-3-{[(2S)-2-Ethylhexyl]oxy}-1,2-propanediol [ACD/IUPAC Name]
(2S)-3-{[(2S)-2-Éthylhexyl]oxy}-1,2-propanediol [French] [ACD/IUPAC Name]
1,2-Propanediol, 3-[[(2S)-2-ethylhexyl]oxy]-, (2S)- [ACD/Index Name]
Ethylhexylglycerin
UNII-147D247K3P

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 325.8±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 65.8±6.0 kJ/mol
Flash Point: 150.9±22.3 °C
Index of Refraction: 1.456
Molar Refractivity: 57.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.24
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 39.52
ACD/KOC (pH 5.5): 483.73
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 39.52
ACD/KOC (pH 7.4): 483.73
Polar Surface Area: 50 Å2
Polarizability: 22.9±0.5 10-24cm3
Surface Tension: 35.4±3.0 dyne/cm
Molar Volume: 212.2±3.0 cm3

Click to predict properties on the Chemicalize site


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